6-nitro-5-oxidanyl-2-(4-pentan-2-ylphenyl)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-nitro-5-oxidanyl-2-(4-pentan-2-ylphenyl)benzo[de]isoquinoline-1,3-dione Openeye Name: 5-hydroxy-2-[4-(1-methylbutyl)phenyl]-6-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 5-hydroxy-6-nitro-2-(4-pentan-2-ylphenyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 5-hydroxy-6-nitro-2-(4-pentan-2-ylphenyl)benzo[de]isoquinoline-1,3-dione Traditional Name: 5-hydroxy-2-[4-(1-methylbutyl)phenyl]-6-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4[N+](=O)[O-])O)C2=O

Isomeric SMILES

CCCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4[N+](=O)[O-])O)C2=O

InChI

InChI=1S/C23H20N2O5/c1-3-5-13(2)14-8-10-15(11-9-14)24-22(27)17-7-4-6-16-20(17)18(23(24)28)12-19(26)21(16)25(29)30/h4,6-13,26H,3,5H2,1-2H3